# Property Optimization on MOSES ~1.5M molecules (test) Source: [Property Optimization on MOSES ~1.5M molecules (test)]() Collection index: [llms.txt]() Data updated: 2026-03-25T15:20:08.049Z Evaluation of models performing molecule property optimization tasks on the test split of the MOSES ~1.5M molecules dataset. A research result applies to its stated dataset, split, metric and evaluation configuration. Compare like-for-like settings, preserve the metric's unit and direction, and distinguish paper-reported results from independent reproduction. The best result recorded here is not a claim of exhaustive, current global coverage. | Scope | Recorded value | | --- | --- | | Task | Property Optimization | | Dataset (including any stated split) | MOSES ~1.5M molecules (test) | | Metric | C.V.U.N. Score | | Unit | PERCENT | | Direction | Higher is better | | Results loaded | 16 of 16 | | Coverage | All results currently returned for this benchmark | Evaluation settings may differ between results. The original papers and recorded configurations are needed to establish comparability. A shared metric name alone does not establish an identical protocol. ## Metrics - [C.V.U.N. Score](): Higher is better; unit: PERCENT. - [C.V.U. Score](): Higher is better; unit: PERCENT. ## Recorded results | Method | C.V.U.N. Score | Result date | Report paper | | --- | --- | --- | --- | | GEM | 85 | Not recorded | 69c36c270636e5bf4afc65b8 | | GEM | 80 | Not recorded | 69c36c270636e5bf4afc65b8 | | GEM | 80 | Not recorded | 69c36c270636e5bf4afc65b8 | | DeFoG | 78 | Not recorded | 69c36c270636e5bf4afc65b8 | | DeFoG | 77 | Not recorded | 69c36c270636e5bf4afc65b8 | | DeFoG | 74 | Not recorded | 69c36c270636e5bf4afc65b8 | | G-VFM | 72 | Not recorded | 69c36c270636e5bf4afc65b8 | | G-VFM | 72 | Not recorded | 69c36c270636e5bf4afc65b8 | | G-VFM | 70 | Not recorded | 69c36c270636e5bf4afc65b8 | | GEM | 40 | Not recorded | 69c36c270636e5bf4afc65b8 | | G-VFM | 26 | Not recorded | 69c36c270636e5bf4afc65b8 | | DeFoG | 26 | Not recorded | 69c36c270636e5bf4afc65b8 | | Training samples (MOSES) | 0 | Not recorded | 69c36c270636e5bf4afc65b8 | | Training samples (MOSES) | 0 | Not recorded | 69c36c270636e5bf4afc65b8 | | Training samples (MOSES) | 0 | Not recorded | 69c36c270636e5bf4afc65b8 | | Training samples (MOSES) | 0 | Not recorded | 69c36c270636e5bf4afc65b8 | ### GEM C.V.U.N. Score: 85. Result ID: 69c3fd1747f34ce924ae23ae. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Initialization":"Noise Initialization","Condition":"logP \<= 1.5","Inference steps":"1k","Evaluation samples":"5k"}. This record does not assert independent reproduction. ### GEM C.V.U.N. Score: 80. Result ID: 69c3fd1747f34ce924ae23a2. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Initialization":"Noise Initialization","Condition":"logS \>= -2.25","Inference steps":"1k","Evaluation samples":"5k"}. This record does not assert independent reproduction. ### GEM C.V.U.N. Score: 80. Result ID: 69c3fd1747f34ce924ae23aa. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Initialization":"Noise Initialization","Condition":"TPSA \<= 50","Inference steps":"1k","Evaluation samples":"5k"}. This record does not assert independent reproduction. ### DeFoG C.V.U.N. Score: 78. Result ID: 69c3fd1747f34ce924ae23ad. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Initialization":"Noise Initialization","Condition":"logP \<= 1.5","reproduced":"true","Inference steps":"1k","Evaluation samples":"5k"}. This record does not assert independent reproduction. ### DeFoG C.V.U.N. Score: 77. Result ID: 69c3fd1747f34ce924ae23a9. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Initialization":"Noise Initialization","Condition":"TPSA \<= 50","reproduced":"true","Inference steps":"1k","Evaluation samples":"5k"}. This record does not assert independent reproduction. ### DeFoG C.V.U.N. Score: 74. Result ID: 69c3fd1747f34ce924ae23a1. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Initialization":"Noise Initialization","Condition":"logS \>= -2.25","reproduced":"true","Inference steps":"1k","Evaluation samples":"5k"}. This record does not assert independent reproduction. ### G-VFM C.V.U.N. Score: 72. Result ID: 69c3fd1747f34ce924ae23a0. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Initialization":"Noise Initialization","Condition":"logS \>= -2.25","reproduced":"true","Inference steps":"1k","Evaluation samples":"5k"}. This record does not assert independent reproduction. ### G-VFM C.V.U.N. Score: 72. Result ID: 69c3fd1747f34ce924ae23a8. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Initialization":"Noise Initialization","Condition":"TPSA \<= 50","reproduced":"true","Inference steps":"1k","Evaluation samples":"5k"}. This record does not assert independent reproduction. ### G-VFM C.V.U.N. Score: 70. Result ID: 69c3fd1747f34ce924ae23ac. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Initialization":"Noise Initialization","Condition":"logP \<= 1.5","reproduced":"true","Inference steps":"1k","Evaluation samples":"5k"}. This record does not assert independent reproduction. ### GEM C.V.U.N. Score: 40. Result ID: 69c3fd1747f34ce924ae23a6. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Initialization":"Noise Initialization","Condition":"QED \>= 0.9","Inference steps":"1k","Evaluation samples":"5k"}. This record does not assert independent reproduction. ### G-VFM C.V.U.N. Score: 26. Result ID: 69c3fd1747f34ce924ae23a4. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Initialization":"Noise Initialization","Condition":"QED \>= 0.9","reproduced":"true","Inference steps":"1k","Evaluation samples":"5k"}. This record does not assert independent reproduction. ### DeFoG C.V.U.N. Score: 26. Result ID: 69c3fd1747f34ce924ae23a5. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Initialization":"Noise Initialization","Condition":"QED \>= 0.9","reproduced":"true","Inference steps":"1k","Evaluation samples":"5k"}. This record does not assert independent reproduction. ### Training samples (MOSES) C.V.U.N. Score: 0. Result ID: 69c3fd1747f34ce924ae239f. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Condition":"logS \>= -2.25","Inference steps":"1k","Evaluation samples":"5k"}. This record does not assert independent reproduction. ### Training samples (MOSES) C.V.U.N. Score: 0. Result ID: 69c3fd1747f34ce924ae23a3. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Condition":"QED \>= 0.9","Inference steps":"1k","Evaluation samples":"5k"}. This record does not assert independent reproduction. ### Training samples (MOSES) C.V.U.N. Score: 0. Result ID: 69c3fd1747f34ce924ae23a7. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Condition":"TPSA \<= 50","Inference steps":"1k","Evaluation samples":"5k"}. This record does not assert independent reproduction. ### Training samples (MOSES) C.V.U.N. Score: 0. Result ID: 69c3fd1747f34ce924ae23ab. [Reporting paper]() [Method origin paper]() Recorded evaluation configuration: {"Condition":"logP \<= 1.5","Inference steps":"1k","Evaluation samples":"5k"}. This record does not assert independent reproduction. Page 1 of 1. This is an index page, not the full collection.